N'-(2-methylanilino)azepane-1-carboximidamide

C14H22N4 — CID 10037578

IUPACN'-(2-methylanilino)azepane-1-carboximidamide
SMILESCc1ccccc1N/N=C(\N)N1CCCCCC1
InChIInChI=1S/C14H22N4/c1-12-8-4-5-9-13(12)16-17-14(15)18-10-6-2-3-7-11-18/h4-5,8-9,16H,2-3,6-7,10-11H2,1H3,(H2,15,17)
InChIKeyMXROHAIGFHJJMM-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.51
Rot. Bonds2

About N'-(2-methylanilino)azepane-1-carboximidamide

N'-(2-methylanilino)azepane-1-carboximidamide (PubChem CID 10037578) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N'-(2-methylanilino)azepane-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylanilino)azepane-1-carboximidamide
PubChem CID10037578
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN'-(2-methylanilino)azepane-1-carboximidamide
SMILESCc1ccccc1N/N=C(\N)N1CCCCCC1
InChIInChI=1S/C14H22N4/c1-12-8-4-5-9-13(12)16-17-14(15)18-10-6-2-3-7-11-18/h4-5,8-9,16H,2-3,6-7,10-11H2,1H3,(H2,15,17)
InChIKeyMXROHAIGFHJJMM-UHFFFAOYSA-N
XLogP2.51
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 4873353
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CID 10445670
N-(2-methylphenyl)azepane-1-carboxamide
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N-[(2-methylanilino)-phenylmethylidene]piperidine-1-carbothioamide
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N'-(4-methylphenyl)piperidine-1-carboximidamide
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N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide
CID 19599228
N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
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1-[amino(piperidin-1-yl)methylidene]-3-(2-bromo-6-methylphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylanilino)azepane-1-carboximidamide?
The IUPAC name of N'-(2-methylanilino)azepane-1-carboximidamide (CID 10037578) is N'-(2-methylanilino)azepane-1-carboximidamide.
What is the SMILES notation for N'-(2-methylanilino)azepane-1-carboximidamide?
The canonical SMILES for N'-(2-methylanilino)azepane-1-carboximidamide is Cc1ccccc1N/N=C(\N)N1CCCCCC1.
What is the InChIKey of N'-(2-methylanilino)azepane-1-carboximidamide?
The InChIKey is MXROHAIGFHJJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12-8-4-5-9-13(12)16-17-14(15)18-10-6-2-3-7-11-18/h4-5,8-9,16H,2-3,6-7,10-11H2,1H3,(H2,15,17).
What are the key properties of N'-(2-methylanilino)azepane-1-carboximidamide?
N'-(2-methylanilino)azepane-1-carboximidamide has a molecular weight of 246.36 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylanilino)azepane-1-carboximidamide is sourced from PubChem (CID 10037578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).